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Lin Lin

Publications and source records attributed to Lin Lin.

At least 145 records · Page 8Linked to original sources
arXiv2024

The Staggered Mesh Method: Accurate Exact Exchange towards the Thermodynamic Limit for Solids

In periodic systems, the Hartree-Fock (HF) exchange energy exhibits the slowest convergence of all HF energy components as the system size approaches the thermodynamic limit. We demonstrate that the recently proposed staggered mesh method for Fock exchange energy [Xing, Li, and Lin, Math. Comp., 2024], which is specifically designed to sidestep certain singularities in exchange energy evaluation, can expedite the finite-size convergence rate for the exact exchange energy across a range of insulators and semiconductors when compared to the regular and truncated Coulomb methods. This remains true even for two computationally cheaper versions of this new method, which we call Non-SCF and Split-SCF staggered mesh. Additionally, a sequence of numerical tests on simple solids showcases the staggered mesh method's ability to improve convergence towards the thermodynamic limit for band gaps, bulk moduli, equilibrium lattice dimensions, energies, and phonon force constants.

physics.comp-ph↗
arXiv2023

Exact ground state of interacting electrons in magic angle graphene

One of the most remarkable theoretical findings in magic angle twisted bilayer graphene (TBG) is the emergence of ferromagnetic Slater determinants as exact ground states for the interacting Hamiltonian at the chiral limit. This discovery provides an explanation for the correlated insulating phase which has been experimentally observed at half filling. This work is the first mathematical study of interacting models in magic angle graphene systems. These include not only TBG but also TBG-like systems featuring four flat bands per valley, and twisted trilayer graphene (TTG) systems with equal twist angles. We identify symmetries of the Bistritzer-MacDonald Hamiltonian that are responsible for characterizing the Hartree-Fock ground states as zero energy many-body ground states. Furthermore, for a general class of Hamiltonian, we establish criteria that the ferromagnetic Slater determinants are the unique ground states within the class of uniformly half-filled, translation invariant Slater determinants. We then demonstrate that these criteria can be explicitly verified for TBG and TBG-like systems at the chiral limit, using properties of Jacobi-$θ$ and Weierstrass-$\wp$ functions.

math-ph↗
arXiv2023

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and rigorous analysis of the finite-size error in the Hartree-Fock theory (HF) and the second order Møller-Plesset perturbation theory (MP2), which are the simplest wavefunction based method, and the simplest post-Hartree-Fock method, respectively. Such calculations can be viewed as a multi-dimensional integral discretized with certain trapezoidal rules. Due to the Coulomb singularity, the integrand has many points of discontinuity in general, and standard error analysis based on the Euler-Maclaurin formula gives overly pessimistic results. The lack of analytic understanding of finite-size errors also impedes the development of effective finite-size correction schemes. We propose a unified analysis to obtain sharp convergence rates of finite-size errors for the periodic HF and MP2 theories. Our main technical advancement is a generalization of the result of [Lyness, 1976] for obtaining sharp convergence rates of the trapezoidal rule for a class of non-smooth integrands. Our result is applicable to three-dimensional bulk systems as well as low dimensional systems (such as nanowires and 2D materials). Our unified analysis also allows us to prove the effectiveness of the Madelung-constant correction to the Fock exchange energy, and the effectiveness of a recently proposed staggered mesh method for periodic MP2 calculations [Xing, Li, Lin, J. Chem. Theory Comput. 2021]. Our analysis connects the effectiveness of the staggered mesh method with integrands with removable singularities, and suggests a new staggered mesh method for reducing finite-size errors of periodic HF calculations.

physics.comp-ph↗
arXiv2023

Linear combination of Hamiltonian simulation for nonunitary dynamics with optimal state preparation cost

We propose a simple method for simulating a general class of non-unitary dynamics as a linear combination of Hamiltonian simulation (LCHS) problems. LCHS does not rely on converting the problem into a dilated linear system problem, or on the spectral mapping theorem. The latter is the mathematical foundation of many quantum algorithms for solving a wide variety of tasks involving non-unitary processes, such as the quantum singular value transformation (QSVT). The LCHS method can achieve optimal cost in terms of state preparation. We also demonstrate an application for open quantum dynamics simulation using the complex absorbing potential method with near-optimal dependence on all parameters.

quant-ph↗
arXiv2023

Simultaneous estimation of multiple eigenvalues with short-depth quantum circuit on early fault-tolerant quantum computers

We introduce a multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) method to simultaneously estimate multiple eigenvalues of a quantum Hamiltonian on early fault-tolerant quantum computers. Our theoretical analysis demonstrates that the algorithm exhibits Heisenberg-limited scaling in terms of circuit depth and total cost. Notably, the proposed quantum circuit utilizes just one ancilla qubit, and with appropriate initial state conditions, it achieves significantly shorter circuit depths compared to circuits based on quantum phase estimation (QPE). Numerical results suggest that compared to QPE, the circuit depth can be reduced by around two orders of magnitude under several settings for estimating ground-state and excited-state energies of certain quantum systems.

quant-ph↗
arXiv2023

Efficient anti-symmetrization of a neural network layer by taming the sign problem

Explicit antisymmetrization of a neural network is a potential candidate for a universal function approximator for generic antisymmetric functions, which are ubiquitous in quantum physics. However, this procedure is a priori factorially costly to implement, making it impractical for large numbers of particles. The strategy also suffers from a sign problem. Namely, due to near-exact cancellation of positive and negative contributions, the magnitude of the antisymmetrized function may be significantly smaller than before anti-symmetrization. We show that the anti-symmetric projection of a two-layer neural network can be evaluated efficiently, opening the door to using a generic antisymmetric layer as a building block in anti-symmetric neural network Ansatzes. This approximation is effective when the sign problem is controlled, and we show that this property depends crucially the choice of activation function under standard Xavier/He initialization methods. As a consequence, using a smooth activation function requires re-scaling of the neural network weights compared to standard initializations.

cs.LG↗
arXiv2023

A radio pulsar phase from SGR J1935+2154 provides clues to the magnetar FRB mechanism

The megajansky radio burst, FRB 20200428, and other bright radio bursts detected from the Galactic source SGR J1935+2154 suggest that magnetars can make fast radio bursts (FRBs), but the emission site and mechanism of FRB-like bursts are still unidentified. Here we report the emergence of a radio pulsar phase of the magnetar five months after FRB 20200428. 795 pulses were detected in 16.5 hours over 13 days by the Five-hundred-meter Aperture Spherical Radio telescope, with luminosities about eight decades fainter than FRB 20200428. The pulses were emitted in a narrow phase window anti-aligned with the X-ray pulsation profile observed by the X-ray telescopes. The bursts, conversely, appear in random phases. This dichotomy suggests that radio pulses originate from a fixed region within the magnetosphere, but bursts occur in random locations and are possibly associated with explosive events in a dynamically evolving magnetosphere. This picture reconciles the lack of periodicity in cosmological repeating FRBs within the magnetar engine model.

astro-ph.HE↗
arXiv2023

Robust iterative method for symmetric quantum signal processing in all parameter regimes

This paper addresses the problem of solving nonlinear systems in the context of symmetric quantum signal processing (QSP), a powerful technique for implementing matrix functions on quantum computers. Symmetric QSP focuses on representing target polynomials as products of matrices in SU(2) that possess symmetry properties. We present a novel Newton's method tailored for efficiently solving the nonlinear system involved in determining the phase factors within the symmetric QSP framework. Our method demonstrates rapid and robust convergence in all parameter regimes, including the challenging scenario with ill-conditioned Jacobian matrices, using standard double precision arithmetic operations. For instance, solving symmetric QSP for a highly oscillatory target function $α\cos(1000 x)$ (polynomial degree $\approx 1433$) takes $6$ iterations to converge to machine precision when $α=0.9$, and the number of iterations only increases to $18$ iterations when $α=1-10^{-9}$ with a highly ill-conditioned Jacobian matrix. Leveraging the matrix product states the structure of symmetric QSP, the computation of the Jacobian matrix incurs a computational cost comparable to a single function evaluation. Moreover, we introduce a reformulation of symmetric QSP using real-number arithmetics, further enhancing the method's efficiency. Extensive numerical tests validate the effectiveness and robustness of our approach, which has been implemented in the QSPPACK software package.

quant-ph↗
arXiv2023

A theory of quantum subspace diagonalization

Quantum subspace diagonalization methods are an exciting new class of algorithms for solving large\rev{-}scale eigenvalue problems using quantum computers. Unfortunately, these methods require the solution of an ill-conditioned generalized eigenvalue problem, with a matrix pair corrupted by a non-negligible amount of noise that is far above the machine precision. Despite pessimistic predictions from classical \rev{worst-case} perturbation theories, these methods can perform reliably well if the generalized eigenvalue problem is solved using a standard truncation strategy. By leveraging and advancing classical results in matrix perturbation theory, we provide a theoretical analysis of this surprising phenomenon, proving that under certain natural conditions, a quantum subspace diagonalization algorithm can accurately compute the smallest eigenvalue of a large Hermitian matrix. We give numerical experiments demonstrating the effectiveness of the theory and providing practical guidance for the choice of truncation level. Our new results can also be of independent interest to solving eigenvalue problems outside the context of quantum computation.

quant-ph↗
arXiv2023

Quasi-Periodic Peak Energy Oscillations in X-ray Bursts from SGR J1935+2154

Magnetars are young neutron stars powered by the strongest magnetic fields in the Universe (10$^{13-15}$ G). Their transient X-ray emission usually manifests as short (a few hundred milliseconds), bright, energetic ($\sim$ 10$^{40-41}$ erg) X-ray bursts. Since its discovery in 2014, magnetar J1935+2154 has become one of the most prolific magnetars, exhibiting very active bursting episodes, and other fascinating events such as pulse timing anti-glitches and Fast Radio Bursts. Here, we present evidence for possible 42 Hz (24 ms) quasi-periodic oscillations in the $νF_ν$ spectrum peak energy (Ep) identified in a unique burst detected with the Fermi Gamma-ray Burst Monitor in January 2022. While quasi-periodic oscillations have been previously reported in the intensity of magnetar burst lightcurves, quasi-periodic oscillations in the Ep have not. We also find an additional event from the same outburst that appears to exhibit similar character in Ep, albeit of lower statistical quality. For these two exceptional transients, such Ep oscillations can be explained by magnetospheric density and pressure perturbations. For burst-emitting plasma consisting purely of $e^+e^-$ pairs, these acoustic modes propagate along a highly magnetized flux tube of length up to around $L\sim 130$ neutron star radii, with $L$ being lower if ions are present in the emission zone. Detailed time-resolved analyses of other magnetar bursts are encouraged to evaluate the rarity of these events and their underlying mechanisms.

astro-ph.HE↗
arXiv2023

Explicit Quantum Circuits for Block Encodings of Certain Sparse Matrices

Many standard linear algebra problems can be solved on a quantum computer by using recently developed quantum linear algebra algorithms that make use of block encodings and quantum eigenvalue/singular value transformations. A block encoding embeds a properly scaled matrix of interest A in a larger unitary transformation U that can be decomposed into a product of simpler unitaries and implemented efficiently on a quantum computer. Although quantum algorithms can potentially achieve exponential speedup in solving linear algebra problems compared to the best classical algorithm, such gain in efficiency ultimately hinges on our ability to construct an efficient quantum circuit for the block encoding of A, which is difficult in general, and not trivial even for well-structured sparse matrices. In this paper, we give a few examples on how efficient quantum circuits can be explicitly constructed for some well-structured sparse matrices, and discuss a few strategies used in these constructions. We also provide implementations of these quantum circuits in MATLAB.

quant-ph↗
arXiv2023

A quantum hamiltonian simulation benchmark

Hamiltonian simulation is one of the most important problems in quantum computation, and quantum singular value transformation (QSVT) is an efficient way to simulate a general class of Hamiltonians. However, the QSVT circuit typically involves multiple ancilla qubits and multi-qubit control gates. In order to simulate a certain class of $n$-qubit random Hamiltonians, we propose a drastically simplified quantum circuit that we refer to as the minimal QSVT circuit, which uses only one ancilla qubit and no multi-qubit controlled gates. We formulate a simple metric called the quantum unitary evolution score (QUES), which is a scalable quantum benchmark and can be verified without any need for classical computation. Under the globally depolarized noise model, we demonstrate that QUES is directly related to the circuit fidelity, and the potential classical hardness of an associated quantum circuit sampling problem. Under the same assumption, theoretical analysis suggests there exists an `optimal' simulation time $t^{\text{opt}}\approx 4.81$, at which even a noisy quantum device may be sufficient to demonstrate the potential classical hardness.

quant-ph↗
arXiv2023

Adaptive Weighted Multi-View Clustering

Learning multi-view data is an emerging problem in machine learning research, and nonnegative matrix factorization (NMF) is a popular dimensionality-reduction method for integrating information from multiple views. These views often provide not only consensus but also complementary information. However, most multi-view NMF algorithms assign equal weight to each view or tune the weight via line search empirically, which can be infeasible without any prior knowledge of the views or computationally expensive. In this paper, we propose a weighted multi-view NMF (WM-NMF) algorithm. In particular, we aim to address the critical technical gap, which is to learn both view-specific weight and observation-specific reconstruction weight to quantify each view's information content. The introduced weighting scheme can alleviate unnecessary views' adverse effects and enlarge the positive effects of the important views by assigning smaller and larger weights, respectively. Experimental results confirm the effectiveness and advantages of the proposed algorithm in terms of achieving better clustering performance and dealing with the noisy data compared to the existing algorithms.

stat.ML↗
arXiv2023

Anti-symmetric Barron functions and their approximation with sums of determinants

A fundamental problem in quantum physics is to encode functions that are completely anti-symmetric under permutations of identical particles. The Barron space consists of high-dimensional functions that can be parameterized by infinite neural networks with one hidden layer. By explicitly encoding the anti-symmetric structure, we prove that the anti-symmetric functions which belong to the Barron space can be efficiently approximated with sums of determinants. This yields a factorial improvement in complexity compared to the standard representation in the Barron space and provides a theoretical explanation for the effectiveness of determinant-based architectures in ab-initio quantum chemistry.

math.NA↗
arXiv2023

Discovery of the linear energy-dependence of the spectral lag of X-ray bursts from SGR J1935+2154

Spectral lag of the low-energy photons with respect to the high-energy ones is a common astrophysical phenomenon (such as Gamma-ray bursts and the Crab pulsar) and may serve as a key probe to the underlying radiation mechanism. However, spectral lag in keV range of the magnetar bursts has not been systematically studied yet. In this work, we perform a detailed spectral lag analysis with the Li-CCF method for SGR J1935+2154 bursts observed by {\it Insight}-HXMT, GECAM and Fermi/GBM from July 2014 to Jan 2022. We discover that the spectral lags of about 61\% (non-zero significance >1$σ$) bursts from SGR J1935+2154 are linearly dependent on the photon energy ($E$) with $t_{\rm lag}(E)=α(E/{\rm keV})+C$, which may be explained by a linear change of the temperature of the blackbody-emitting plasma with time. The distribution of the slope ($α$) approximately follows a Gaussian function with mean and standard deviation of 0.02 ms/keV (i.e. high-energy photons arrive earlier) and 0.02 ms/keV, respectively. We also find that the distribution can be well fitted with three Gaussians with mean values of $\sim$ -0.009, 0.013 and 0.039 ms/keV, which may correspond to different origins of the bursts. These spectral lag features may have important implications on the magnetar bursts.

astro-ph.HE↗
arXiv2023

Time-marching based quantum solvers for time-dependent linear differential equations

The time-marching strategy, which propagates the solution from one time step to the next, is a natural strategy for solving time-dependent differential equations on classical computers, as well as for solving the Hamiltonian simulation problem on quantum computers. For more general linear differential equations, a time-marching based quantum solver can suffer from exponentially vanishing success probability with respect to the number of time steps and is thus considered impractical. We solve this problem by repeatedly invoking a technique called the uniform singular value amplification, and the overall success probability can be lower bounded by a quantity that is independent of the number of time steps. The success probability can be further improved using a compression gadget lemma. This provides a path of designing quantum differential equation solvers that is alternative to those based on quantum linear systems algorithms (QLSA). We demonstrate the performance of the time-marching strategy with a high-order integrator based on the truncated Dyson series. The complexity of the algorithm depends linearly on the amplification ratio, which quantifies the deviation from a unitary dynamics. We prove that the linear dependence on the amplification ratio attains the query complexity lower bound and thus cannot be improved in the worst case. This algorithm also surpasses existing QLSA based solvers in three aspects: (1) the coefficient matrix $A(t)$ does not need to be diagonalizable. (2) $A(t)$ can be non-smooth, and is only of bounded variation. (3) It can use fewer queries to the initial state. Finally, we demonstrate the time-marching strategy with a first-order truncated Magnus series, while retaining the aforementioned benefits. Our analysis also raises some open questions concerning the differences between time-marching and QLSA based methods for solving differential equations.

quant-ph↗
arXiv2023

Insight-HXMT and GECAM-C observations of the brightest-of-all-time GRB 221009A

GRB 221009A is the brightest gamma-ray burst ever detected since the discovery of this kind of energetic explosions. However, an accurate measurement of the prompt emission properties of this burst is very challenging due to its exceptional brightness. With joint observations of \textit{Insight}-HXMT and GECAM-C, we made an unprecedentedly accurate measurement of the emission during the first $\sim$1800 s of GRB 221009A, including its precursor, main emission (ME, which dominates the burst in flux), flaring emission and early afterglow, in the hard X-ray to soft gamma-ray band from $\sim$ 10 keV to $\sim$ 6 MeV. Based on the GECAM-C unsaturated data of the ME, we measure a record-breaking isotropic equivalent energy ($E_{\rm iso}$) of $\bf \sim 1.5 \times 10^{55}$ erg, which is about eight times the total rest-mass energy of the Sun. The early afterglow data require a significant jet break between 650 s and 1100 s, most likely at $\sim950$ s from the afterglow starting time $T_{AG}$, which corresponds to a jet opening angle of $\sim {0.7^\circ} \ (η_γn)^{1/8}$, where $n$ is the ambient medium density in units of $\rm cm^{-3}$ and $η_γ$ is the ratio between $γ$-ray energy and afterglow kinetic energy. The beaming-corrected total $γ$-ray energy $E_γ$ is $\sim 1.15 \times10^{51} \ (η_γn)^{1/4}$ erg, which is typical for long GRBs. These results suggest that this GRB may have a special central engine, which could launch and collimate a very narrowly beamed jet with an ordinary energy budget, leading to exceptionally luminous gamma-ray radiation per unit solid angle. Alternatively, more GRBs might have such a narrow and bright beam, which are missed by an unfavorable viewing angle or have been detected without distance measurement.

astro-ph.HE↗
arXiv2023

Personalized Pricing with Invalid Instrumental Variables: Identification, Estimation, and Policy Learning

Pricing based on individual customer characteristics is widely used to maximize sellers' revenues. This work studies offline personalized pricing under endogeneity using an instrumental variable approach. Standard instrumental variable methods in causal inference/econometrics either focus on a discrete treatment space or require the exclusion restriction of instruments from having a direct effect on the outcome, which limits their applicability in personalized pricing. In this paper, we propose a new policy learning method for Personalized pRicing using Invalid iNsTrumental variables (PRINT) for continuous treatment that allow direct effects on the outcome. Specifically, relying on the structural models of revenue and price, we establish the identifiability condition of an optimal pricing strategy under endogeneity with the help of invalid instrumental variables. Based on this new identification, which leads to solving conditional moment restrictions with generalized residual functions, we construct an adversarial min-max estimator and learn an optimal pricing strategy. Furthermore, we establish an asymptotic regret bound to find an optimal pricing strategy. Finally, we demonstrate the effectiveness of the proposed method via extensive simulation studies as well as a real data application from an US online auto loan company.

stat.ME↗